Chlordecone

Base Information

• Chemical Name: Chlordecone
• CAS No.: 143-50-0
• Molecular Formula: C10Cl10 O
• Molecular Weight: 490.639
• European Community (EC) Number: 205-601-3
• ICSC Number: 1432
• UN Number: 2761
• UNII: RG5XJ88UDF
• DSSTox Substance ID: DTXSID1020770
• Nikkaji Number: J10.213J
• Wikipedia: Chlordecone
• Wikidata: Q423892
• NCI Thesaurus Code: C44352
• ChEMBL ID: CHEMBL462576
• Mol file: 143-50-0.mol

Synonyms:Chlordecone;Kepone

Chemical Property of Chlordecone

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 1.24E-08mmHg at 25°C
• Melting Point: 350oC (decomp)
• Boiling Point: 459.7oC at 760 mmHg
• Flash Point: >100oC
• PSA: 17.07000
• Density: 2.27g/cm3
• LogP: 4.61820
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 489.677541
• Heavy Atom Count: 21
• Complexity: 631
• Transport DOT Label: Poison

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s): A carcinogen. Toxic by ingestion, inhalation, and skin absorption. Manufacture and use have been prohibited.
• Hazard Codes: A carcinogen. Toxic by ingestion, inhalation, and skin absorption. Manufacture and use have been prohibited.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed.
• Effects of Short Term Exposure: The substance may cause effects on the central nervous system and liver. This may result in impaired functions and liver impairment. The effects may be delayed.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis. The substance may have effects on the endocrine system. This substance is possibly carcinogenic to humans. Causes toxicity to human reproduction or development.

Technology Process of Chlordecone

There total 3 articles about Chlordecone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ kepone (143-50-0)

Guidance literature:

Hexachlorcyclopentadien-1-¹³C, 1. SO3, 2. Hydrolyse;

DOI:10.1002/jlcr.2580160209

Reference yield:

hexachlorocyclopentadiene (77-47-4) → chlordecone (143-50-0)

Guidance literature:

With sulfur trioxide; Behandeln des Reaktionsprodukts mit wss. NaOH;

Reference yield:

Decachlorpentacyclo<5.3.0.02,6.03,9.04,8>decanon-(5)-hydrat → chlordecone (143-50-0)

Guidance literature:

In benzene; Heating;

DOI:10.1016/0040-4020(67)85071-3

upstream raw materials:

hexachlorocyclopentadiene

Downstream raw materials:

Nonachloropentacyclo<4.3.0.0^2,5.0^3,8.0^4,7>nonan-4-carbonsaeure

C₁₇H₈Cl₁₀O₂

C₁₈H₁₀Cl₁₀O₂

Refernces

• 1、 Heys,Duncan,Perry,et al.. "Synthesis of carbon-14 and carbon-13 labeled chlorinated polycyclic pesticides". . p. 295 - 306,296,298,305. Retrieved 1979.